smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000002472032 343138866 /nfs/dbraw/zinc/13/88/66/343138866.db2.gz GKCZVBZHDHBWJF-UHFFFAOYSA-N 1 1 243.350 3.777 50 10 BHCAMO CC[NH+](CC)c1ccc(-n2c(C)ccc2C)cc1 ZINC000004620710 384072744 /nfs/dbraw/zinc/07/27/44/384072744.db2.gz AOGHODQMWLAKSD-UHFFFAOYSA-N 1 1 242.366 3.940 50 10 BHCAMO CN(C)c1ccc(C[N@@H+](C)C2CCCCC2)cc1 ZINC000004981079 187247907 /nfs/dbraw/zinc/24/79/07/187247907.db2.gz WQPLWQPEWGWBEL-UHFFFAOYSA-N 1 1 246.398 3.517 50 10 BHCAMO Oc1ccccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000023282027 183302391 /nfs/dbraw/zinc/30/23/91/183302391.db2.gz JBOWCOWLFHTNNS-ZFWWWQNUSA-N 1 1 245.366 3.547 50 10 BHCAMO Oc1ccccc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000023282029 183302671 /nfs/dbraw/zinc/30/26/71/183302671.db2.gz JBOWCOWLFHTNNS-HIFRSBDPSA-N 1 1 245.366 3.547 50 10 BHCAMO Oc1ccccc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000179576894 183302097 /nfs/dbraw/zinc/30/20/97/183302097.db2.gz JBOWCOWLFHTNNS-UKRRQHHQSA-N 1 1 245.366 3.547 50 10 BHCAMO Oc1ccccc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000230136160 183301328 /nfs/dbraw/zinc/30/13/28/183301328.db2.gz JBOWCOWLFHTNNS-DZGCQCFKSA-N 1 1 245.366 3.547 50 10 BHCAMO